Compound Identification
SMILES
CNC(=O)[C@H]1[C@H]([C@H]2CCC(=O)N2[C@@H]1C1=CC(OC)=C(OC)C=C1)C([O-])=O
InChIKey
InChIKey=PVKXEZWIHBYMBF-GCUJQHFUSA-M
Formula
C18H21N2O6
Mass
361.375
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Dimethoxybenzenes Pyrrolizidinones Anisoles Pyrrolidinecarboxamides Phenoxy compounds Pyrrolidine carboxylic acids Alkyl aryl ethers N-alkylpyrrolidines Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Lactams Secondary carboxylic acid amides Carboxylic acid salts Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - O-dimethoxybenzene - Dimethoxybenzene - Pyrrolizidinone - Phenoxy compound - Anisole - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Methoxybenzene - Pyrrolidine-3-carboxamide - Pyrrolizidine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Pyrrole - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Lactam - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available